LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task

units		lj
atom_style  charge

read_data data.cloud_wall
  orthogonal box = (0 0 0) to (10 10 10)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  300 atoms

velocity	all set 0.0 0.0 0.0 mom no

pair_style	zero 1.0
pair_coeff	* *

neighbor	1.0 bin
neigh_modify	delay 0

fix     1 all nve
kspace_style scafacos ewald  0.001
kspace_modify scafacos tolerance field

timestep	0.005

thermo_style custom step atoms cpu temp pe ke etotal ecoul press

run_style verlet

#dump simple all custom 1000 id x y z vx vy vz
#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
#dump_modify dmpvtk pad 7

thermo 10
run	100
Setting up ScaFaCoS with solver ewald ...
WARNING: Virial computation for Ewald not available (src/SCAFACOS/scafacos.cpp:107)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2
  ghost atom cutoff = 2
  binsize = 1, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair zero, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.34 | 3.34 | 3.34 Mbytes
Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
       0      300            0            0   0.49647271            0   0.49647271            0            0 
      10      300   0.13361073  0.015454603   0.47336798  0.023104631   0.49647261            0 0.0046209262 
      20      300   0.26624846  0.062286838   0.40335451  0.093118823   0.49647334            0  0.018623765 
      30      300   0.39882493   0.14309258    0.2825546   0.21392341   0.49647801            0  0.042784682 
      40      300   0.53216863   0.52823732   0.08958779   0.78971479   0.87930258            0   0.15794296 
      50      300   0.66626191    1.1912156 -0.082808834    1.7808674    1.6980585            0   0.35617347 
      60      300   0.80045819    1.3877079  -0.37658402    2.0746234    1.6980393            0   0.41492467 
      70      300   0.93514919    1.7017671  -0.84569366    2.5441418    1.6984482            0   0.50882837 
      80      300    1.0722892    15.128456    -3.370646    22.617042    19.246396            0    4.5234083 
      90      300    1.2106726    41.994547   -2.2024419    62.781847    60.579406            0    12.556369 
     100      300    1.3514247    41.352114  -0.92449496    61.821411    60.896916            0    12.364282 
Loop time of 1.35144 on 1 procs for 100 steps with 300 atoms

Performance: 31966.000 tau/day, 73.995 timesteps/s
99.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.718e-05  | 2.718e-05  | 2.718e-05  |   0.0 |  0.00
Kspace  | 1.3486     | 1.3486     | 1.3486     |   0.0 | 99.79
Neigh   | 0.0019956  | 0.0019956  | 0.0019956  |   0.0 |  0.15
Comm    | 0.00027394 | 0.00027394 | 0.00027394 |   0.0 |  0.02
Output  | 0.00013924 | 0.00013924 | 0.00013924 |   0.0 |  0.01
Modify  | 0.00023341 | 0.00023341 | 0.00023341 |   0.0 |  0.02
Other   |            | 0.000195   |            |       |  0.01

Nlocal:    300 ave 300 max 300 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    374 ave 374 max 374 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    2465 ave 2465 max 2465 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2465
Ave neighs/atom = 8.21667
Neighbor list builds = 15
Dangerous builds = 0
Total wall time: 0:00:01
